==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-MAR-05 1Z5R . COMPND 2 MOLECULE: PROCARBOXYPEPTIDASE B; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR M.ADLER,J.BRYANT,B.BUCKMAN,I.ISLAM,B.LARSEN,S.FINSTER, . 912 3 9 9 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34470.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 624 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 84 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 57 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 89 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 286 31.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 3 0 0 3 0 6 0 0 3 0 3 0 0 3 0 3 3 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 0 3 6 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 6 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 6 A G 0 0 113 0, 0.0 2,-0.1 0, 0.0 11,-0.1 0.000 360.0 360.0 360.0 146.9 6.7 9.2 57.3 2 7 A H - 0 0 54 10,-0.1 2,-0.4 6,-0.1 5,-0.1 -0.431 360.0-177.4 -72.0 141.2 10.0 9.3 55.4 3 8 A S > - 0 0 40 3,-0.2 3,-1.0 -2,-0.1 5,-0.1 -0.994 27.3-148.4-139.4 136.8 11.1 12.6 53.8 4 9 A Y T 3 S+ 0 0 42 -2,-0.4 72,-0.1 1,-0.2 -1,-0.1 0.624 102.1 51.9 -76.7 -14.5 14.2 13.2 51.6 5 10 A E T 3 S+ 0 0 94 277,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.037 106.3 59.8-108.3 22.2 14.5 16.7 53.0 6 11 A K S < S- 0 0 102 -3,-1.0 2,-0.5 276,-0.1 -3,-0.2 -0.953 91.3-103.3-142.0 154.5 14.4 15.8 56.7 7 12 A Y - 0 0 17 -2,-0.3 2,-0.4 -5,-0.1 -3,-0.1 -0.750 42.2-149.8 -80.4 130.1 16.6 13.5 58.8 8 13 A N - 0 0 10 -2,-0.5 -6,-0.1 60,-0.1 63,-0.0 -0.831 8.6-121.4-105.9 143.0 14.8 10.2 59.3 9 14 A N > - 0 0 41 -2,-0.4 4,-2.4 1,-0.1 3,-0.3 -0.211 36.5-100.0 -73.6 168.7 15.1 7.9 62.3 10 15 A W H > S+ 0 0 11 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.906 121.2 56.9 -59.0 -42.3 16.3 4.3 61.8 11 16 A E H > S+ 0 0 136 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.910 112.6 44.1 -55.5 -38.5 12.8 2.8 61.9 12 17 A T H > S+ 0 0 23 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.882 112.5 49.3 -73.7 -43.1 11.9 5.1 59.1 13 18 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.936 112.0 50.8 -62.9 -44.5 15.1 4.6 57.0 14 19 A E H X S+ 0 0 60 -4,-3.3 4,-1.5 2,-0.2 -2,-0.2 0.941 110.9 46.7 -57.9 -49.0 14.6 0.8 57.4 15 20 A A H X S+ 0 0 60 -4,-2.0 4,-2.7 -5,-0.3 -1,-0.2 0.895 111.5 54.4 -61.6 -35.1 11.0 1.0 56.2 16 21 A W H X S+ 0 0 12 -4,-2.3 4,-3.3 1,-0.2 5,-0.4 0.900 101.8 55.4 -64.7 -42.1 12.2 3.2 53.3 17 22 A T H X S+ 0 0 0 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.880 113.1 44.4 -60.3 -34.6 14.8 0.6 52.2 18 23 A K H X S+ 0 0 121 -4,-1.5 4,-2.7 -5,-0.2 -2,-0.2 0.947 116.5 44.9 -72.4 -48.7 11.9 -1.9 51.9 19 24 A Q H X S+ 0 0 106 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.926 112.6 48.4 -62.6 -51.7 9.5 0.5 50.2 20 25 A V H X S+ 0 0 6 -4,-3.3 4,-0.9 1,-0.2 -1,-0.2 0.885 114.7 47.6 -60.5 -36.2 12.0 2.0 47.7 21 26 A T H >< S+ 0 0 23 -4,-1.2 3,-0.8 -5,-0.4 7,-0.3 0.944 112.1 48.2 -69.5 -46.3 13.1 -1.6 46.7 22 27 A S H 3< S+ 0 0 66 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.833 113.7 48.5 -65.0 -29.4 9.6 -2.9 46.4 23 28 A E H 3< S+ 0 0 122 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.628 121.9 33.0 -86.4 -12.5 8.6 0.1 44.3 24 29 A N XX + 0 0 36 -4,-0.9 3,-2.1 -3,-0.8 4,-2.0 -0.279 64.3 151.7-140.2 57.6 11.7 -0.2 42.0 25 30 A P T 34 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.710 74.2 59.7 -60.7 -23.4 12.5 -3.9 41.6 26 31 A D T 34 S+ 0 0 91 1,-0.2 3,-0.1 -3,-0.1 -5,-0.0 0.426 119.4 27.1 -85.4 -1.2 14.0 -3.4 38.2 27 32 A L T <4 S+ 0 0 7 -3,-2.1 21,-2.8 1,-0.3 2,-0.4 0.471 121.3 45.8-132.6 -13.5 16.6 -0.9 39.6 28 33 A I E < +A 47 0A 5 -4,-2.0 2,-0.4 -7,-0.3 -1,-0.3 -0.995 45.8 179.6-142.3 138.8 17.1 -2.0 43.2 29 34 A S E -A 46 0A 61 17,-1.3 17,-3.1 -2,-0.4 2,-0.4 -0.987 19.8-148.2-131.1 138.9 17.6 -5.2 45.2 30 35 A R E +A 45 0A 77 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.910 20.7 167.3-112.3 138.0 18.0 -5.1 49.0 31 36 A T E -A 44 0A 75 13,-2.1 13,-2.7 -2,-0.4 2,-0.5 -0.918 31.6-126.9-139.6 162.1 20.1 -7.5 51.1 32 37 A A E -A 43 0A 51 -2,-0.3 11,-0.2 11,-0.2 3,-0.1 -0.966 15.3-169.6-111.6 129.6 21.4 -7.5 54.7 33 38 A I E - 0 0 34 9,-2.8 2,-0.3 -2,-0.5 10,-0.1 0.368 62.9 -42.7-101.8 4.9 25.1 -8.0 55.0 34 39 A G E - 0 0 27 8,-0.4 8,-2.6 5,-0.0 2,-0.3 -0.945 62.3 -83.7 159.7-177.7 25.2 -8.6 58.8 35 40 A T E -A 41 0A 58 -2,-0.3 6,-0.2 6,-0.2 138,-0.1 -0.864 35.2-122.7-118.5 151.8 23.8 -7.5 62.1 36 41 A T > - 0 0 0 4,-2.1 3,-2.2 -2,-0.3 71,-0.1 -0.369 41.7 -91.1 -81.9 175.6 25.0 -4.6 64.3 37 42 A F T 3 S+ 0 0 83 1,-0.3 -1,-0.1 2,-0.1 90,-0.0 0.892 130.5 44.8 -54.9 -39.1 26.1 -5.1 67.9 38 43 A L T 3 S- 0 0 103 88,-0.0 -1,-0.3 1,-0.0 88,-0.0 0.215 124.9 -99.2 -92.0 11.6 22.5 -4.4 69.0 39 44 A G S < S+ 0 0 45 -3,-2.2 2,-0.2 1,-0.2 -2,-0.1 0.654 70.7 144.9 85.0 16.5 20.9 -6.6 66.4 40 45 A N - 0 0 39 1,-0.1 -4,-2.1 2,-0.0 2,-0.5 -0.564 54.2-106.7 -84.7 153.1 19.8 -4.1 63.8 41 46 A N E -A 35 0A 60 -6,-0.2 2,-1.2 -2,-0.2 -6,-0.2 -0.705 19.8-141.7 -86.4 126.1 20.0 -5.2 60.1 42 47 A I E - 0 0 0 -8,-2.6 -9,-2.8 -2,-0.5 -8,-0.4 -0.707 26.9-158.8 -87.8 96.1 22.8 -3.7 58.0 43 48 A Y E -A 32 0A 16 -2,-1.2 2,-0.4 -11,-0.2 62,-0.4 -0.484 13.3-167.9 -79.9 147.1 21.1 -3.2 54.7 44 49 A L E -A 31 0A 1 -13,-2.7 -13,-2.1 -2,-0.2 2,-0.5 -1.000 9.2-152.8-132.7 125.9 22.9 -2.9 51.3 45 50 A L E -AB 30 102A 0 57,-3.2 57,-3.3 -2,-0.4 2,-0.9 -0.911 4.2-151.4-103.6 127.0 21.0 -1.6 48.3 46 51 A K E -AB 29 101A 78 -17,-3.1 -17,-1.3 -2,-0.5 2,-0.5 -0.874 19.2-167.9 -98.0 103.6 22.2 -2.8 44.8 47 52 A V E +AB 28 100A 0 53,-3.0 53,-2.8 -2,-0.9 2,-0.2 -0.857 37.5 77.7 -98.5 121.7 21.2 0.1 42.5 48 53 A G S S- 0 0 3 -21,-2.8 48,-0.2 -2,-0.5 51,-0.1 -0.857 85.7 -68.9 159.4 165.8 21.4 -0.6 38.8 49 54 A K - 0 0 53 46,-2.8 -22,-0.2 49,-0.4 -23,-0.1 -0.742 65.6-112.3 -79.9 113.8 19.8 -2.2 35.8 50 55 A P + 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -22,-0.0 -0.109 56.6 137.2 -51.5 140.4 20.3 -6.0 36.5 51 56 A G - 0 0 42 3,-0.0 3,-0.4 46,-0.0 2,-0.2 -0.969 52.2 -74.4-171.1 169.8 22.7 -7.8 34.2 52 57 A P S S- 0 0 108 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.530 100.0 -5.8 -82.5 146.0 25.5 -10.4 34.2 53 58 A N S S+ 0 0 159 -2,-0.2 0, 0.0 1,-0.2 0, 0.0 0.840 81.0 173.1 39.2 62.0 29.1 -9.7 35.4 54 59 A K - 0 0 26 -3,-0.4 44,-0.2 1,-0.1 -1,-0.2 -0.706 29.9-126.1 -98.0 142.3 28.7 -6.0 36.0 55 60 A P - 0 0 32 0, 0.0 44,-1.8 0, 0.0 2,-0.3 -0.360 34.6-154.6 -75.7 173.2 31.5 -3.9 37.6 56 61 A A E -cd 99 185A 0 128,-3.0 130,-3.1 42,-0.2 131,-0.7 -0.959 22.8-139.5-151.7 162.1 30.5 -1.8 40.6 57 62 A I E -cd 100 187A 0 42,-2.4 44,-2.9 -2,-0.3 2,-0.5 -0.989 24.0-146.0-122.1 129.6 31.1 1.3 42.8 58 63 A F E +cd 101 188A 0 129,-2.4 131,-2.8 -2,-0.4 2,-0.4 -0.872 20.9 175.6-100.4 131.0 30.7 0.9 46.5 59 64 A M E -cd 102 189A 1 42,-3.0 44,-2.6 -2,-0.5 2,-0.3 -0.990 4.5-174.9-136.8 129.4 29.3 3.8 48.6 60 65 A D E -cd 103 190A 0 129,-2.2 131,-2.7 -2,-0.4 2,-0.3 -0.889 4.6-172.1-124.7 155.2 28.5 4.0 52.3 61 66 A a + 0 0 0 42,-2.2 45,-1.6 -2,-0.3 46,-0.2 -0.865 60.1 42.6-132.6 164.7 27.0 6.5 54.6 62 67 A G + 0 0 0 129,-0.4 45,-2.2 -2,-0.3 49,-0.2 0.758 52.2 141.1 71.8 28.3 26.6 6.7 58.3 63 68 A F S S+ 0 0 0 128,-0.6 2,-0.6 1,-0.2 47,-0.1 0.943 75.9 46.4 -62.5 -47.7 29.9 5.5 59.6 64 69 A H S > S- 0 0 6 1,-0.1 3,-1.7 3,-0.1 -1,-0.2 -0.884 82.2-141.8-104.4 123.8 29.7 8.2 62.3 65 70 A A T 3 S+ 0 0 0 57,-1.1 57,-0.2 -2,-0.6 -1,-0.1 0.791 96.0 48.9 -48.8 -47.1 26.4 8.5 64.2 66 71 A R T 3 S+ 0 0 41 55,-1.0 2,-1.9 1,-0.2 -1,-0.3 0.542 83.9 91.6 -77.2 -8.9 26.2 12.3 64.5 67 72 A E X> + 0 0 7 -3,-1.7 3,-2.1 1,-0.2 4,-0.8 -0.409 51.1 166.0 -85.1 61.2 27.0 13.1 60.8 68 73 A W H 3> + 0 0 27 -2,-1.9 4,-1.9 207,-0.4 -1,-0.2 0.744 65.5 64.5 -51.8 -27.9 23.3 13.1 59.9 69 74 A I H 3> S+ 0 0 1 206,-0.3 4,-1.8 1,-0.2 -1,-0.3 0.795 97.0 59.7 -69.7 -24.6 23.8 14.7 56.5 70 75 A S H <> S+ 0 0 0 -3,-2.1 4,-1.6 2,-0.2 3,-0.2 0.965 105.4 45.4 -64.4 -52.4 25.8 11.6 55.5 71 76 A H H X S+ 0 0 0 -4,-0.8 4,-1.4 1,-0.2 -2,-0.2 0.910 111.8 54.4 -58.4 -43.2 22.8 9.3 56.0 72 77 A A H X S+ 0 0 6 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.868 103.8 56.3 -59.5 -38.0 20.6 11.8 54.2 73 78 A F H X S+ 0 0 0 -4,-1.8 4,-2.8 -3,-0.2 -1,-0.2 0.911 101.6 53.0 -64.2 -45.0 22.8 11.7 51.2 74 79 A a H X S+ 0 0 0 -4,-1.6 4,-1.8 30,-0.2 -1,-0.2 0.908 112.0 47.7 -58.3 -38.1 22.7 8.0 50.6 75 80 A Q H X S+ 0 0 3 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.952 111.6 49.7 -66.2 -46.0 18.9 8.2 50.6 76 81 A W H X S+ 0 0 7 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.889 108.5 53.8 -58.9 -44.4 18.9 11.2 48.2 77 82 A F H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.920 105.8 52.5 -57.9 -46.0 21.2 9.4 45.8 78 83 A V H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.913 110.3 47.0 -59.5 -45.2 18.9 6.4 45.6 79 84 A R H X S+ 0 0 68 -4,-1.9 4,-2.9 2,-0.2 5,-0.3 0.928 110.1 53.1 -61.7 -45.2 15.9 8.5 44.7 80 85 A E H X S+ 0 0 41 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.933 110.0 49.5 -55.3 -46.3 17.9 10.4 42.1 81 86 A A H X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.934 114.7 41.9 -58.9 -51.9 19.0 7.1 40.5 82 87 A V H < S+ 0 0 19 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.893 117.1 47.4 -67.4 -38.7 15.5 5.6 40.3 83 88 A L H < S+ 0 0 108 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.871 117.7 38.1 -72.1 -38.1 13.8 8.9 39.1 84 89 A T H >X S+ 0 0 26 -4,-2.4 3,-2.7 -5,-0.3 4,-2.5 0.609 81.3 118.3 -91.9 -12.6 16.2 9.8 36.4 85 90 A Y T 3< S+ 0 0 52 -4,-1.4 4,-0.1 1,-0.3 5,-0.0 -0.330 86.1 18.0 -56.1 129.2 17.0 6.4 34.9 86 91 A G T 34 S+ 0 0 49 2,-0.4 -1,-0.3 3,-0.1 3,-0.1 0.195 127.6 56.1 92.7 -14.6 15.9 6.4 31.3 87 92 A Y T <4 S+ 0 0 201 -3,-2.7 2,-0.6 1,-0.3 -2,-0.2 0.767 95.1 56.1-114.8 -49.6 15.7 10.2 31.2 88 93 A E S X S- 0 0 54 -4,-2.5 4,-2.5 1,-0.1 -2,-0.4 -0.813 75.6-144.9 -91.0 120.9 19.1 11.6 32.1 89 94 A S H > S+ 0 0 86 -2,-0.6 4,-2.4 1,-0.2 5,-0.2 0.844 93.2 49.8 -53.8 -44.6 21.8 10.2 29.8 90 95 A H H > S+ 0 0 85 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.964 113.9 43.0 -62.7 -51.5 24.6 9.9 32.3 91 96 A M H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.903 113.3 54.4 -62.9 -40.0 22.6 8.2 35.1 92 97 A T H X S+ 0 0 26 -4,-2.5 4,-1.6 -8,-0.2 -1,-0.2 0.946 112.1 42.2 -58.6 -48.6 21.0 5.9 32.5 93 98 A E H X S+ 0 0 120 -4,-2.4 4,-2.9 -5,-0.2 5,-0.3 0.915 113.1 55.2 -66.6 -38.1 24.4 4.8 31.1 94 99 A F H X S+ 0 0 1 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.946 112.0 41.1 -58.1 -51.5 25.8 4.5 34.7 95 100 A L H < S+ 0 0 0 -4,-2.9 -46,-2.8 1,-0.2 -1,-0.2 0.739 115.2 51.9 -70.5 -25.8 23.0 2.1 35.8 96 101 A N H < S+ 0 0 72 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.921 119.4 34.9 -73.4 -43.3 23.1 0.2 32.6 97 102 A K H < S+ 0 0 123 -4,-2.9 2,-0.3 -5,-0.2 -2,-0.2 0.801 125.3 12.6 -82.7 -36.6 26.9 -0.4 32.8 98 103 A L < - 0 0 4 -4,-2.9 -49,-0.4 -5,-0.3 2,-0.4 -0.845 64.4-121.1-138.7 172.6 27.5 -0.7 36.5 99 104 A D E - c 0 56A 9 -44,-1.8 -42,-2.4 -2,-0.3 2,-0.6 -0.898 15.5-144.6-114.1 146.9 25.9 -1.2 39.9 100 105 A F E -Bc 47 57A 2 -53,-2.8 -53,-3.0 -2,-0.4 2,-0.9 -0.971 9.6-152.7-108.9 120.4 26.2 1.1 42.9 101 106 A Y E -Bc 46 58A 24 -44,-2.9 -42,-3.0 -2,-0.6 2,-0.6 -0.884 19.4-168.8 -92.0 109.7 26.3 -0.8 46.1 102 107 A V E -Bc 45 59A 0 -57,-3.3 -57,-3.2 -2,-0.9 -42,-0.2 -0.919 15.5-168.8-106.9 120.7 24.8 1.7 48.5 103 108 A L E - c 0 60A 0 -44,-2.6 -42,-2.2 -2,-0.6 3,-0.2 -0.861 8.2-166.2-106.8 97.4 25.0 1.0 52.2 104 109 A P S S+ 0 0 1 0, 0.0 2,-0.3 0, 0.0 -30,-0.2 0.815 71.2 9.1 -54.3 -41.4 22.7 3.7 53.7 105 110 A V + 0 0 1 -62,-0.4 3,-0.3 1,-0.1 -43,-0.2 -0.907 55.2 173.2-146.9 114.6 23.7 3.4 57.4 106 111 A L S S+ 0 0 0 -45,-1.6 2,-1.7 -2,-0.3 3,-0.3 0.951 81.8 47.5 -82.3 -55.9 26.7 1.4 58.7 107 112 A N > + 0 0 0 -45,-2.2 4,-2.0 1,-0.2 -1,-0.2 -0.507 66.9 156.0 -88.5 72.8 26.7 2.5 62.3 108 113 A I H > + 0 0 0 -2,-1.7 4,-2.8 -3,-0.3 5,-0.2 0.887 68.0 55.5 -67.2 -40.9 23.0 2.0 63.0 109 114 A D H > S+ 0 0 3 -3,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.911 111.0 44.7 -61.5 -42.6 23.3 1.5 66.8 110 115 A G H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.898 111.3 54.2 -67.3 -39.8 25.1 4.8 67.2 111 116 A Y H X S+ 0 0 1 -4,-2.0 4,-1.1 1,-0.2 3,-0.4 0.939 107.8 49.0 -59.5 -48.5 22.6 6.6 64.9 112 117 A I H >X S+ 0 0 53 -4,-2.8 4,-1.9 1,-0.2 3,-0.9 0.923 108.4 56.0 -57.6 -39.9 19.7 5.4 67.0 113 118 A Y H 3X>S+ 0 0 28 -4,-1.8 4,-2.8 1,-0.3 5,-2.4 0.834 102.1 55.0 -61.8 -33.8 21.6 6.7 70.1 114 119 A T H 3<5S+ 0 0 7 -4,-1.7 -1,-0.3 -3,-0.4 -2,-0.2 0.741 111.6 45.7 -71.0 -24.0 21.9 10.2 68.5 115 120 A W H <<5S+ 0 0 96 -4,-1.1 -2,-0.2 -3,-0.9 -1,-0.2 0.771 124.7 29.7 -86.0 -31.2 18.1 10.2 68.2 116 121 A T H <5S- 0 0 88 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.747 136.1 -2.6-102.5 -27.7 17.3 8.8 71.6 117 122 A K T <5S+ 0 0 81 -4,-2.8 2,-0.4 -5,-0.2 -3,-0.2 0.678 121.2 20.5-133.7 -50.6 20.0 10.0 74.0 118 123 A N > < - 0 0 30 -5,-2.4 3,-1.8 1,-0.1 -2,-0.1 -0.865 45.8-164.3-141.6 108.2 23.0 11.9 72.7 119 124 A R T 3 S+ 0 0 54 -2,-0.4 -5,-0.1 1,-0.3 -1,-0.1 0.691 92.2 54.4 -60.4 -23.5 23.0 13.9 69.4 120 125 A M T 3 S+ 0 0 83 -53,-0.0 -1,-0.3 -55,-0.0 -54,-0.2 0.316 75.3 124.3 -97.4 7.0 26.8 14.1 69.5 121 126 A W < + 0 0 13 -3,-1.8 -55,-1.0 1,-0.1 -7,-0.1 -0.341 26.9 168.7 -64.1 148.2 27.6 10.4 69.8 122 127 A R + 0 0 29 -57,-0.2 -57,-1.1 2,-0.1 -1,-0.1 0.600 45.8 76.1-132.4 -31.8 29.9 9.1 67.0 123 128 A K S S- 0 0 2 1,-0.2 -58,-0.2 -59,-0.2 14,-0.2 -0.008 85.3 -90.5 -77.4-179.6 31.2 5.6 67.9 124 129 A T - 0 0 0 12,-2.1 -1,-0.2 -14,-0.1 -2,-0.1 -0.077 35.4-118.3 -75.8-169.7 29.4 2.3 67.8 125 130 A R + 0 0 43 10,-0.1 2,-0.1 9,-0.0 -1,-0.1 0.045 62.8 132.6-123.7 26.8 27.5 1.1 70.9 126 131 A S - 0 0 6 10,-0.1 9,-3.3 1,-0.1 2,-0.1 -0.428 57.0-112.8 -79.5 153.9 29.4 -2.1 71.7 127 132 A T B -H 134 0B 93 7,-0.2 2,-0.4 -2,-0.1 7,-0.1 -0.439 24.8-141.0 -82.1 160.8 30.5 -2.9 75.2 128 133 A N > - 0 0 21 5,-0.5 3,-1.5 3,-0.5 5,-0.0 -0.986 22.7-106.5-127.7 134.3 34.2 -3.0 76.2 129 134 A A T 3 S+ 0 0 102 -2,-0.4 4,-0.1 1,-0.2 3,-0.1 -0.241 99.2 10.9 -59.6 139.8 35.9 -5.5 78.6 130 135 A G T 3 S+ 0 0 94 1,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.484 117.1 70.0 71.6 8.3 36.8 -4.1 82.0 131 136 A T S < S- 0 0 41 -3,-1.5 -3,-0.5 2,-0.2 -1,-0.1 -0.981 71.5-133.4-153.9 158.9 35.0 -0.8 81.7 132 137 A T S S+ 0 0 58 205,-0.4 206,-0.1 -2,-0.3 -1,-0.1 0.594 74.5 115.0 -84.0 -14.9 31.6 0.9 81.6 133 138 A b - 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